SCHEMBL30762545

SCHEMBL30762545

Cc1cc(C(C)Nc2ccccc2C(=O)O)c2nc(N3CCCCC3)cc(N3CCOCC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.62
▸ PIK3CB P42338 6/20 0.62
▸ PIK3CD O00329 2/20 0.62
▸ PIK3CG P48736 2/20 0.62
▸ SRC P12931 1/20 0.62
▸ DDX6 P26196 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ CSK P41240 1/20 0.62
▸ MTOR P42345 1/20 0.62
▸ PLK1 P53350 1/20 0.62
▸ PRKDC P78527 1/20 0.62
▸ PDE4B Q07343 1/20 0.62
▸ PDE4C Q08493 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ AURKB Q96GD4 1/20 0.62
▸ PI4KB Q9UBF8 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ AKT1 P31749 8/20 0.60
▸ AKT2 P31751 8/20 0.60
▸ AKT3 Q9Y243 8/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30762609 0.92 PIK3CA (0.52) PIK3CAPIK3CBPIK3CDPIK3CGSRC
SCHEMBL30762607 0.86 PIK3CA (0.62) PIK3CAPIK3CBPIK3CDPIK3CGSRC
SCHEMBL30762397 0.86 PIK3CA (0.62) PIK3CAPIK3CBPIK3CDPIK3CGSRC
SCHEMBL26137376 0.85 AKT1 (0.63) PIK3CAPIK3CBPIK3CDPIK3CGSRC
SCHEMBL26137375 0.85 AKT1 (0.63) PIK3CAPIK3CBPIK3CDPIK3CGSRC
SCHEMBL30762492 0.84 AKT1 (0.62) PIK3CAPIK3CBPIK3CDPIK3CGSRC
SCHEMBL30762599 0.84 AKT1 (0.62) PIK3CAPIK3CBPIK3CDPIK3CGSRC
SCHEMBL30762499 0.83 AKT1 (0.61) PIK3CAPIK3CBPIK3CDPIK3CGSRC
SCHEMBL30808161 0.82 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3CGSRC
SCHEMBL30808153 0.82 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3CGSRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026423-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS PI3K INHIBITORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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